CID 116004

6-(heptyloxy)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C10H19N5O
SMILES
CCCCCCCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C10H19N5O/c1-2-3-4-5-6-7-16-10-14-8(11)13-9(12)15-10/h2-7H2,1H3,(H4,11,12,13,14,15)
InChIKey
VRNJKSSGPWBMEW-UHFFFAOYSA-N
Compound name
6-heptoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.15897 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.16625 153.4
[M+Na]+ 248.14819 160.7
[M-H]- 224.15169 152.0
[M+NH4]+ 243.19279 167.0
[M+K]+ 264.12213 157.6
[M+H-H2O]+ 208.15623 144.4
[M+HCOO]- 270.15717 174.8
[M+CH3COO]- 284.17282 195.5
[M+Na-2H]- 246.13364 158.5
[M]+ 225.15842 154.0
[M]- 225.15952 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.